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Substance Name: Digitoxin, tetraformate
RN: 14435-27-9
InChIKey: FWRCXZPLTUEYGS-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C45-H64-O17

Molecular Weight

  • 876.984
 
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Names and Synonyms

Synonym

  • Tetraformyl-digitoxin

Systematic Name

  • Digitoxin, tetraformate

Registry Numbers

CAS Registry Number

  • 14435-27-9

System Generated Number

  • 0014435279

Structure Descriptors

InChI

1S/C45H64O17/c1-24-40(56-23-49)33(53-20-46)16-38(57-24)61-42-26(3)59-39(18-35(42)55-22-48)62-41-25(2)58-37(17-34(41)54-21-47)60-29-8-11-43(4)28(15-29)6-7-32-31(43)9-12-44(5)30(10-13-45(32,44)51)27-14-36(50)52-19-27/h14,20-26,28-35,37-42,51H,6-13,15-19H2,1-5H3

InChIKey

FWRCXZPLTUEYGS-UHFFFAOYSA-N

Smiles

C(=O)O[C@@H]1[C@@H](O[C@@H](C[C@@H]1OC=O)O[C@@H]1[C@@H](O[C@@H](C[C@@H]1OC=O)O[C@@H]1[C@@H](O[C@@H](C[C@@H]1OC=O)O[C@@H]1CC[C@@]2([C@@H]3CC[C@@]4([C@@H](CC[C@@]4([C@@H]3CC[C@@H]2C1)O)C1=CC(OC1)=O)C)C)C)C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LDLo intravenous 2900ug/kg (2.9mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

CARDIAC: OTHER CHANGES

BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS
Archives Internationales de Pharmacodynamie et de Therapie. Vol. 153, Pg. 436, 1965.
mouse LD50 oral 5920ug/kg (5.92mg/kg) BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS

CARDIAC: OTHER CHANGES

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Archives Internationales de Pharmacodynamie et de Therapie. Vol. 153, Pg. 436, 1965.
mouse LD50 subcutaneous 4460ug/kg (4.46mg/kg) CARDIAC: OTHER CHANGES

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS
Archives Internationales de Pharmacodynamie et de Therapie. Vol. 153, Pg. 436, 1965.